4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine

C10H17F3N2 — CID 66570745

IUPAC4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC(F)(F)C1CCCN1C1CCNCC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2
InChIKeyCXYOVFJWORUYTD-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.77
Rot. Bonds1

About 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine

4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine (PubChem CID 66570745) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
PubChem CID66570745
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC(F)(F)C1CCCN1C1CCNCC1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2
InChIKeyCXYOVFJWORUYTD-UHFFFAOYSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine (CID 66570745) is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine is FC(F)(F)C1CCCN1C1CCNCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is CXYOVFJWORUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2.
What are the key properties of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine?
4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 222.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 66570745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).